MiMeDB: Showing metabocard for Glycyl-Isoleucine (MMDBc0000467)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:38:25 UTC

Update Date

2024-04-30 19:32:29 UTC

Metabolite ID

MMDBc0000467

Metabolite Identification

Common Name

Glycyl-Isoleucine

Description

Glycyl-Isoleucine is a dipeptide composed of glycine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0244847
     RDKit          3D
N-Glycyl-L-isoleucine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -1.9284    1.6880   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984    0.6330   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478   -0.5315    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.1524   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155   -0.1646    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    0.8642    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    0.8193   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    2.0563   -0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171   -0.3259   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893   -0.4906   -0.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177   -1.3658    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910   -2.3910    1.9198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -1.4585    2.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    2.3954   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.3414   -1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    2.3089   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    1.0433    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.1839   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -1.2787    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.3318   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -2.1813   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -0.5371   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    0.2895    2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    2.8969   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -0.1278   -1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -1.2405   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.1074    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776   -0.0035   -0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -1.8319    3.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 13 29  1  0
M  END

  Mrv1652304032019092D          

 13 12  0  0  0  0            999 V2000
    0.5230   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 10  7  1  4  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000467

> <DATABASE_NAME>
MIME

> <SMILES>
CCC(C)C(N=C(O)CN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)

> <INCHI_KEY>
KGVHCTWYMPWEGN-UHFFFAOYSA-N

> <FORMULA>
C8H16N2O3

> <MOLECULAR_WEIGHT>
188.2242

> <EXACT_MASS>
188.116092388

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
19.753804160527107

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

> <ALOGPS_LOGP>
-2.24

> <JCHEM_LOGP>
-2.0086889375763533

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.55170403397639

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.701901411225675

> <JCHEM_PKA_STRONGEST_BASIC>
9.334340809334764

> <JCHEM_POLAR_SURFACE_AREA>
95.91000000000001

> <JCHEM_REFRACTIVITY>
47.4191

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0244847
     RDKit          3D
N-Glycyl-L-isoleucine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -1.9284    1.6880   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984    0.6330   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478   -0.5315    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.1524   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155   -0.1646    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    0.8642    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    0.8193   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    2.0563   -0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171   -0.3259   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893   -0.4906   -0.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177   -1.3658    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910   -2.3910    1.9198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -1.4585    2.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    2.3954   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.3414   -1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    2.3089   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    1.0433    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.1839   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -1.2787    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.3318   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -2.1813   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -0.5371   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    0.2895    2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    2.8969   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -0.1278   -1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -1.2405   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.1074    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776   -0.0035   -0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -1.8319    3.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 13 29  1  0
M  END

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0       0.976  -0.976   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310  -0.206   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.977   5.954   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977   4.414   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       3.644   6.724   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       6.311   3.644   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    5                                                            
CONECT    3    1    5                                                       
CONECT    4    6    9                                                       
CONECT    5    2    3    7                                                  
CONECT    6    4   10   11                                                  
CONECT    7    5    8   10                                                  
CONECT    8    7   12   13                                                  
CONECT    9    4                                                            
CONECT   10    6    7                                                       
CONECT   11    6                                                            
CONECT   12    8                                                            
CONECT   13    8                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0244847
HETATM    1  C1  UNL     1      -1.928   1.688  -0.922  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.498   0.633  -0.046  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.548  -0.531   0.194  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.217  -1.152  -1.105  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.415  -0.165   1.095  1.00  0.00           C  
HETATM    6  N1  UNL     1       0.439   0.864   0.695  1.00  0.00           N  
HETATM    7  C6  UNL     1       1.469   0.819  -0.024  1.00  0.00           C  
HETATM    8  O1  UNL     1       2.155   2.056  -0.271  1.00  0.00           O  
HETATM    9  C7  UNL     1       2.117  -0.326  -0.679  1.00  0.00           C  
HETATM   10  N2  UNL     1       3.489  -0.491  -0.202  1.00  0.00           N  
HETATM   11  C8  UNL     1       0.218  -1.366   1.706  1.00  0.00           C  
HETATM   12  O2  UNL     1      -0.491  -2.391   1.920  1.00  0.00           O  
HETATM   13  O3  UNL     1       1.550  -1.458   2.071  1.00  0.00           O  
HETATM   14  H1  UNL     1      -1.336   2.395  -0.293  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.357   1.341  -1.782  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.793   2.309  -1.298  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.776   1.043   0.931  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.392   0.184  -0.539  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.171  -1.279   0.774  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.143  -1.332  -1.691  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.768  -2.181  -0.970  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.565  -0.537  -1.757  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.984   0.290   2.020  1.00  0.00           H  
HETATM   24  H11 UNL     1       1.615   2.897  -0.405  1.00  0.00           H  
HETATM   25  H12 UNL     1       2.249  -0.128  -1.790  1.00  0.00           H  
HETATM   26  H13 UNL     1       1.539  -1.241  -0.589  1.00  0.00           H  
HETATM   27  H14 UNL     1       3.612  -0.107   0.760  1.00  0.00           H  
HETATM   28  H15 UNL     1       4.178  -0.004  -0.804  1.00  0.00           H  
HETATM   29  H16 UNL     1       1.752  -1.832   3.001  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4    5   19
CONECT    4   20   21   22
CONECT    5    6   11   23
CONECT    6    7    7
CONECT    7    8    9
CONECT    8   24
CONECT    9   10   25   26
CONECT   10   27   28
CONECT   11   12   12   13
CONECT   13   29
END

HMDB0244847
     RDKit          3D
N-Glycyl-L-isoleucine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -1.9284    1.6880   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984    0.6330   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478   -0.5315    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.1524   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155   -0.1646    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    0.8642    0.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    0.8193   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    2.0563   -0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171   -0.3259   -0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893   -0.4906   -0.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177   -1.3658    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910   -2.3910    1.9198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -1.4585    2.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    2.3954   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    1.3414   -1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    2.3089   -1.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    1.0433    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.1839   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -1.2787    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.3318   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -2.1813   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -0.5371   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    0.2895    2.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    2.8969   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -0.1278   -1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -1.2405   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.1074    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776   -0.0035   -0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -1.8319    3.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 13 29  1  0
M  END

Synonyms

Value	Source
g-I dipeptide	HMDB
GI dipeptide	HMDB
Gly-ile	HMDB
Glycine isoleucine dipeptide	HMDB
Glycine-isoleucine dipeptide	HMDB
Glycylisoleucine	HMDB
L-Glycyl-L-isoleucine	HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-methylpentanoate	HMDB

Molecular Formula

C₈H₁₆N₂O₃

Average Mass

188.2242

Monoisotopic Mass

188.116092388

IUPAC Name

2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

Traditional Name

2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

CAS Registry Number

Not Available

SMILES

CCC(C)C(N=C(O)CN)C(O)=O

InChI Identifier

InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)

InChI Key

KGVHCTWYMPWEGN-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a59-9100000000-9c647107deed5af4492f	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-053r-9100000000-d279f5718e9f8d48aca1	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-03	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-000i-9000000000-679dfc19e16aa17ee53f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-001i-1900000000-3eb2a749181db44d90e0	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0083-4900000000-726e0375f6fe96718333	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0540-9200000000-6a8f912ec890d1c68236	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-053r-9000000000-d0beacb1ff970fd1b0e0	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0900000000-675c643d7c6adcbb0777	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000l-2900000000-ded8fa2be3ebc397c591	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-059x-9200000000-20b8f643a679a45e560a	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-634043492308cc21320f	2021-10-11	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9700000000-758ed2c0566da5ecbd5e	2021-10-11	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-cae25c6f39d13e82fb6c	2021-10-11	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-053r-7900000000-ac9c19dd6433e32e4550	2021-10-11	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9200000000-5eb879b3925ac1fe3b51	2021-10-11	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9100000000-7e8c8edb411fce913d37	2021-10-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for Glycyl-Isoleucine (MMDBc0000467)

MOL for #<Metabolite:0x00007fb7e0c0aa40>

3D MOL for #<Metabolite:0x00007fb7e0c0aa40>

3D SDF for #<Metabolite:0x00007fb7e0c0aa40>

3D-SDF for #<Metabolite:0x00007fb7e0c0aa40>

PDB for #<Metabolite:0x00007fb7e0c0aa40>

3D PDB for #<Metabolite:0x00007fb7e0c0aa40>

SMILES for #<Metabolite:0x00007fb7e0c0aa40>

INCHI for #<Metabolite:0x00007fb7e0c0aa40>

Structure for #<Metabolite:0x00007fb7e0c0aa40>

3D Structure for #<Metabolite:0x00007fb7e0c0aa40>